2-ethyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(4-methyl-2-pyridinyl)benzenesulfonamide

C18H19N3O3S — CID 20936370

IUPAC2-ethyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(4-methyl-2-pyridinyl)benzenesulfonamide
SMILESCCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)Nc1cc(C)ccn1
InChIInChI=1S/C18H19N3O3S/c1-4-14-5-6-15(16-10-13(3)20-24-16)11-17(14)25(22,23)21-18-9-12(2)7-8-19-18/h5-11H,4H2,1-3H3,(H,19,21)
InChIKeyHAKLBHNHFVVUOH-UHFFFAOYSA-N
MW357.44 g/mol
LogP3.72
Rot. Bonds5

About 2-ethyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(4-methyl-2-pyridinyl)benzenesulfonamide

2-ethyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(4-methyl-2-pyridinyl)benzenesulfonamide (PubChem CID 20936370) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 2-ethyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(4-methyl-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name2-ethyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(4-methyl-2-pyridinyl)benzenesulfonamide
PubChem CID20936370
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name2-ethyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(4-methyl-2-pyridinyl)benzenesulfonamide
SMILESCCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)Nc1cc(C)ccn1
InChIInChI=1S/C18H19N3O3S/c1-4-14-5-6-15(16-10-13(3)20-24-16)11-17(14)25(22,23)21-18-9-12(2)7-8-19-18/h5-11H,4H2,1-3H3,(H,19,21)
InChIKeyHAKLBHNHFVVUOH-UHFFFAOYSA-N
XLogP3.72
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(4-methyl-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 2-ethyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(4-methyl-2-pyridinyl)benzenesulfonamide (CID 20936370) is 2-ethyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(4-methyl-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 2-ethyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(4-methyl-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 2-ethyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(4-methyl-2-pyridinyl)benzenesulfonamide is CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)Nc1cc(C)ccn1.
What is the InChIKey of 2-ethyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(4-methyl-2-pyridinyl)benzenesulfonamide?
The InChIKey is HAKLBHNHFVVUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-4-14-5-6-15(16-10-13(3)20-24-16)11-17(14)25(22,23)21-18-9-12(2)7-8-19-18/h5-11H,4H2,1-3H3,(H,19,21).
What are the key properties of 2-ethyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(4-methyl-2-pyridinyl)benzenesulfonamide?
2-ethyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(4-methyl-2-pyridinyl)benzenesulfonamide has a molecular weight of 357.44 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(4-methyl-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 20936370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).